6-(4-benzylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C20H14F3N3 — CID 58118961

IUPAC6-(4-benzylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1nnc2ccc(-c3ccc(Cc4ccccc4)cc3)cn12
InChIInChI=1S/C20H14F3N3/c21-20(22,23)19-25-24-18-11-10-17(13-26(18)19)16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-11,13H,12H2
InChIKeyWCHVJMSWLLVJQZ-UHFFFAOYSA-N
MW353.35 g/mol
LogP5.01
Rot. Bonds3

About 6-(4-benzylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

6-(4-benzylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 58118961) has the molecular formula C20H14F3N3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 6-(4-benzylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-(4-benzylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID58118961
Molecular FormulaC20H14F3N3
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Name6-(4-benzylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1nnc2ccc(-c3ccc(Cc4ccccc4)cc3)cn12
InChIInChI=1S/C20H14F3N3/c21-20(22,23)19-25-24-18-11-10-17(13-26(18)19)16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-11,13H,12H2
InChIKeyWCHVJMSWLLVJQZ-UHFFFAOYSA-N
XLogP5.01
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.35
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-(4-benzylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 58118961) is 6-(4-benzylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-(4-benzylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-(4-benzylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1nnc2ccc(-c3ccc(Cc4ccccc4)cc3)cn12.
What is the InChIKey of 6-(4-benzylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is WCHVJMSWLLVJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3/c21-20(22,23)19-25-24-18-11-10-17(13-26(18)19)16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-11,13H,12H2.
What are the key properties of 6-(4-benzylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-(4-benzylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 353.35 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 58118961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).